3-エチル-4-メチルピリジン

3-Ethyl-4-methylpyridine

HCID 68254CAS 529-21-5

部分構造検索類似構造を探す

基本情報

標準SMILES: CCc1cnccc1C
InChIKey: JDQNYWYMNFRKNQ-UHFFFAOYSA-N
分子式: C8H11N
平均分子量: 121.18 g/mol
単同位体質量: 121.08914935

名称と識別子

優先名称: 3-Ethyl-4-methylpyridine
IUPAC: 3-ethyl-4-methylpyridine
現地名: 3-エチル-4-メチルピリジン
英語名: 3-ETHYL-4-METHYLPYRIDINE
分子式: C8H11N
分子量: 121.18

名称と別名

3-Ethyl-4-methylpyridine529-21-53-Ethyl-4-picolinePyridine, 3-ethyl-4-methyl-UNII-4I7CCZ440O4I7CCZ440OEINECS 208-453-8NSC-62016AI3-16615.beta.-Ethyl-.gamma.-picolineDTXSID10601823-ETHYL-4-PICOLINE [MI]

名称をさらに表示

3-エチル-4-ピコリン3-エチル-γ-ピコリンβ-コリジン3-エチル-4-メチルピリジンB-COLLIDINE3-ETHYL-G-PICOLINE3-Ethyl-γ-picoline4-Picoline, 3-ethyl-3-Ethyl-gamma-picoline

RefChem:93836beta-Ethyl-gamma-picolineDTXCID9041316InChI=1/C8H11N/c1-3-8-6-9-5-4-7(8)2/h4-6H,3H2,1-2HJDQNYWYMNFRKNQ-UHFFFAOYSA-Nbeta-Collidine4-Methyl-3-ethylpyridine.beta.-Collidine

データベース識別子

CAS: 529-21-5
PubChem CID: 68254
DTXSID: DTXSID1060182
UNII: 4I7CCZ440O
EC Number: 208-453-8
Nikkaji: J6.681H

物性

構造計算による物性

XLogP: 2
極性表面積: 12.9 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 9
形式電荷: 0
複雑度: 80.6

物理化学的性質

融点: 6 · 6-8C
沸点: 195 · 195-196°C
比重(密度): 0 · 0,936g/cm
屈折率: 1 · 1,465
闪点: 195 · 195-196°C
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): 6.25 · 6.25±0.18(Predicted)
LogP: 2.18 · 2.180 (est)
CAS データベース: 529 · 529-21-5(CAS DataBase Reference)
EPAの化学物質情報: 3 · Pyridine, 3-ethyl-4-methyl- (529-21-5)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationChemical: Pyridine, 3-ethyl-4-methyl-

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

安全データ

tsca: TSCA listed
ridadr: 1760
risk_code: 20/21/22-36/37/38
hazard_code: Xi
safety_code: 26-36/37/39-36
hazard_class: 8
packing_group: III

化学と産業

用途と製造

General Manufacturing InformationPyridine, 3-ethyl-4-methyl-: INACTIVE

応用分野 · 1 件

説明This alkyl-substituted Pyridine has been suggested for usc in perfume compositions of the non-floral character. It blends excellently with Oakmoss and Vetiver, the earthy-mossy notes of which it will support and modify in a pleasant manner, and it produces new shades of Fougere with Amylsalicylate, Cedarwood, Lavender, Amylvinylcarbinol etc.